#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpq s ASP 3 N 0.00 7.04 -0.04 -2.24 1.01 -1.26 -4.99 116.67 116.19 1gpq s ASP 3 Ca 0.00 1.89 -0.30 0.00 0.71 0.00 0.00 52.55 54.85 1gpq s ASP 3 Cb 0.00 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.32 1gpq s ASP 3 CO 0.00 -0.28 1.24 -0.22 0.21 0.00 0.00 175.17 176.11 1gpq s LEU 4 N -2.48 4.29 0.18 1.23 2.96 -1.26 -4.85 118.68 118.75 1gpq s LEU 4 Ca 0.55 1.87 -0.03 0.00 -0.22 0.00 0.00 54.13 56.30 1gpq s LEU 4 Cb -0.18 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1gpq s LEU 4 CO 0.23 -0.61 0.16 0.42 -1.32 0.00 0.00 176.35 175.24 1gpq s THR 5 N 2.24 0.04 0.35 3.68 -4.23 -1.26 -4.44 115.64 112.02 1gpq s THR 5 Ca 0.57 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.29 1gpq s THR 5 Cb -0.26 -2.25 0.18 0.00 1.34 0.00 0.00 72.50 71.52 1gpq s THR 5 CO 0.23 -0.18 1.91 0.40 -0.54 0.00 0.00 174.62 176.44 1gpq h ILE 6 N 2.65 1.18 -0.40 2.99 2.04 -1.93 -1.43 117.51 122.61 1gpq h ILE 6 Ca -0.34 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 64.79 1gpq h ILE 6 Cb 1.23 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1gpq h ILE 6 CO 0.52 0.24 -0.03 -1.28 0.00 0.00 0.00 178.15 177.60 1gpq h SER 7 N 0.56 0.72 0.05 1.72 0.87 -1.85 -1.54 113.55 114.09 1gpq h SER 7 Ca 0.13 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.27 1gpq h SER 7 Cb 0.23 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1gpq h SER 7 CO -0.00 0.88 -0.29 0.77 -0.53 0.00 0.00 176.83 177.66 1gpq h SER 8 N 0.55 0.37 -0.51 6.23 4.64 -1.80 -2.48 113.55 120.55 1gpq h SER 8 Ca 0.11 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1gpq h SER 8 Cb 0.52 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1gpq h SER 8 CO 0.03 0.65 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.52 1gpq h LEU 9 N 0.32 0.93 -1.92 5.97 3.38 -1.01 0.28 115.31 123.26 1gpq h LEU 9 Ca 0.05 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 1gpq h LEU 9 Cb 0.67 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1gpq h LEU 9 CO 0.05 1.04 -0.12 0.00 0.09 0.00 0.00 178.44 179.50 1gpq h ALA 10 N 0.92 1.51 0.00 1.53 0.00 -0.92 -2.84 119.26 119.46 1gpq h ALA 10 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1gpq h ALA 10 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1gpq h ALA 10 CO 0.04 0.15 -1.06 1.63 0.00 0.00 0.00 179.25 180.01 1gpq n LYS 11 N -3.97 0.78 -2.02 0.00 5.02 -0.97 -4.51 118.16 112.49 1gpq n LYS 11 Ca -0.02 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 1gpq n LYS 11 Cb 0.21 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 1gpq n LYS 11 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1gpq s GLY 12 N -3.02 2.69 0.22 0.72 0.00 0.07 -4.85 107.32 103.15 1gpq s GLY 12 Ca 0.05 1.34 -0.08 0.00 0.00 0.00 0.00 44.72 46.02 1gpq s GLY 12 CO 0.77 2.13 1.85 -2.09 0.00 0.00 0.00 173.10 175.76 1gpq h GLU 13 N 4.06 0.90 -0.00 2.90 4.57 -1.89 0.11 114.58 125.22 1gpq h GLU 13 Ca -0.48 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 1gpq h GLU 13 Cb 1.22 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1gpq h GLU 13 CO 0.71 0.60 -0.25 0.25 -1.18 0.00 0.00 179.01 179.13 1gpq n THR 14 N -4.63 0.00 0.00 0.32 -2.24 -1.26 -4.22 114.28 102.25 1gpq n THR 14 Ca 0.09 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1gpq n THR 14 Cb 0.11 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1gpq n THR 14 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1gpq n THR 15 N -0.96 0.00 -0.31 4.28 -2.24 -0.97 -4.75 114.28 109.33 1gpq n THR 15 Ca 0.11 -0.31 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 1gpq n THR 15 Cb 0.33 0.81 0.23 0.00 -2.10 0.00 0.00 70.33 69.60 1gpq n THR 15 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1gpq h LYS 16 N 0.00 1.03 -0.56 -0.78 3.64 -0.71 -1.09 116.57 118.10 1gpq h LYS 16 Ca 0.00 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1gpq h LYS 16 Cb 0.00 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1gpq h LYS 16 CO 0.00 0.68 0.10 0.00 -2.27 0.00 0.00 179.45 177.96 1gpq h ALA 17 N 1.50 0.74 -0.50 5.00 0.00 -1.84 -1.08 119.26 123.09 1gpq h ALA 17 Ca 0.39 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1gpq h ALA 17 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gpq h ALA 17 CO -0.14 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.61 1gpq h ALA 18 N 1.00 1.12 -0.50 0.00 0.00 -1.68 -2.10 119.26 117.11 1gpq h ALA 18 Ca 0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1gpq h ALA 18 Cb 0.39 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1gpq h ALA 18 CO 0.01 0.57 0.03 0.35 0.00 0.00 0.00 179.25 180.20 1gpq h PHE 19 N 0.76 0.94 -0.64 0.00 3.57 -0.86 -1.82 116.94 118.89 1gpq h PHE 19 Ca 0.15 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1gpq h PHE 19 Cb 0.42 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1gpq h PHE 19 CO 0.02 0.87 0.37 -0.91 -2.23 0.00 0.00 178.31 176.43 1gpq h ASN 20 N 0.73 0.77 -0.14 0.41 2.35 -0.90 -1.37 115.58 117.43 1gpq h ASN 20 Ca 0.15 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1gpq h ASN 20 Cb 0.48 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1gpq h ASN 20 CO 0.02 0.60 -0.38 1.56 -1.65 0.00 0.00 177.43 177.58 1gpq h GLN 21 N 0.88 0.66 -0.40 0.81 4.20 -1.14 -1.53 115.11 118.59 1gpq h GLN 21 Ca 0.23 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1gpq h GLN 21 Cb -0.02 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1gpq h GLN 21 CO -0.04 0.93 0.17 1.98 -0.67 0.00 0.00 178.83 181.20 1gpq h MET 22 N 0.55 0.59 -0.08 1.46 4.05 -0.41 -3.06 114.93 118.02 1gpq h MET 22 Ca 0.05 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1gpq h MET 22 Cb 0.89 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1gpq h MET 22 CO 0.08 0.54 0.00 1.33 0.23 0.00 0.00 176.91 179.09 1gpq n VAL 23 N -4.66 0.09 -1.65 -5.77 0.24 -0.72 -3.62 118.33 102.24 1gpq n VAL 23 Ca -0.00 -0.29 -0.49 0.00 -2.04 0.00 0.00 64.34 61.52 1gpq n VAL 23 Cb 0.13 0.43 -0.05 0.00 -1.47 0.00 0.00 33.84 32.88 1gpq n VAL 23 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1gpq n GLN 24 N 0.22 1.73 -0.26 7.34 -0.06 -0.58 -0.96 117.38 124.81 1gpq n GLN 24 Ca 0.18 0.63 0.00 0.00 -2.00 0.00 0.00 57.00 55.80 1gpq n GLN 24 Cb 0.34 -2.35 0.00 0.00 -4.06 0.00 0.00 30.24 24.17 1gpq n GLN 24 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1gpq n GLY 25 N 3.29 1.60 3.49 1.69 0.00 -1.26 -4.95 105.19 109.04 1gpq n GLY 25 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1gpq n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gpq s HIS 26 N -2.95 2.57 -0.60 1.61 3.76 -0.14 -5.08 115.29 114.47 1gpq s HIS 26 Ca 0.00 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 1gpq s HIS 26 Cb 0.00 -1.41 0.15 0.00 1.11 0.00 0.00 32.58 32.43 1gpq s HIS 26 CO 0.00 0.33 0.38 0.21 -0.85 0.00 0.00 174.74 174.81 1gpq s LYS 27 N -1.83 2.32 0.57 1.40 2.47 -1.26 -4.98 119.74 118.43 1gpq s LYS 27 Ca 0.17 -2.67 -0.13 0.00 -1.56 0.00 0.00 55.97 51.78 1gpq s LYS 27 Cb -0.11 -3.53 -0.06 0.00 -1.46 0.00 0.00 37.83 32.68 1gpq s LYS 27 CO 0.08 -1.16 1.00 -0.51 0.16 0.00 0.00 175.35 174.93 1gpq s LEU 28 N -0.34 3.40 0.72 5.43 1.43 -1.26 -5.03 118.68 123.04 1gpq s LEU 28 Ca 0.18 1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 1gpq s LEU 28 Cb -0.21 -4.46 0.03 0.00 0.03 0.00 0.00 46.19 41.58 1gpq s LEU 28 CO -0.03 -0.74 1.24 -2.84 0.23 0.00 0.00 176.35 174.20 1gpq s PRO 29 N -4.71 2.13 0.56 1.29 0.02 -1.26 -4.89 135.00 128.14 1gpq s PRO 29 Ca 0.56 1.87 0.30 0.00 0.02 0.00 0.00 61.00 63.75 1gpq s PRO 29 Cb -0.11 -1.82 1.67 0.00 0.02 0.00 0.00 34.50 34.27 1gpq s PRO 29 CO 0.45 -1.87 2.16 0.00 -0.33 0.00 0.00 177.00 177.40 1gpq h ALA 30 N -0.18 1.31 0.00 -1.55 0.00 -2.03 -2.84 119.26 113.97 1gpq h ALA 30 Ca -0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1gpq h ALA 30 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1gpq h ALA 30 CO 0.50 0.08 -0.06 0.11 0.00 0.00 0.00 179.25 179.88 1gpq h TRP 31 N 0.00 0.00 0.33 0.00 5.08 -1.98 -2.81 115.95 116.56 1gpq h TRP 31 Ca -0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 1gpq h TRP 31 Cb 0.21 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.37 1gpq h TRP 31 CO 0.00 0.06 -0.16 0.28 -1.28 0.00 0.00 178.44 177.34 1gpq h VAL 32 N 0.00 0.70 -0.07 0.12 2.07 -1.87 -1.48 116.25 115.72 1gpq h VAL 32 Ca -0.00 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.12 1gpq h VAL 32 Cb 0.17 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1gpq h VAL 32 CO 0.01 0.06 -0.46 0.24 0.02 0.00 0.00 177.57 177.44 1gpq h MET 33 N -0.60 0.17 -0.05 1.57 2.86 -1.76 -2.70 114.93 114.43 1gpq h MET 33 Ca -0.04 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1gpq h MET 33 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1gpq h MET 33 CO 0.07 0.60 -0.22 -0.22 1.06 0.00 0.00 176.91 178.20 1gpq h LYS 34 N 0.14 0.08 0.00 1.72 3.64 -1.40 -3.44 116.57 117.31 1gpq h LYS 34 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1gpq h LYS 34 Cb 0.87 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1gpq h LYS 34 CO 0.07 0.31 0.00 0.41 -2.27 0.00 0.00 179.45 177.97 1gpq n GLY 35 N -0.80 0.99 0.00 5.01 0.00 -0.57 -5.01 105.19 104.81 1gpq n GLY 35 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1gpq n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gpq n GLY 36 N 0.62 -0.27 3.66 -0.02 0.00 -1.19 -4.97 105.19 103.02 1gpq n GLY 36 Ca 0.00 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1gpq n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gpq s THR 37 N -0.08 4.43 0.35 2.61 2.01 -0.29 -4.79 115.64 119.89 1gpq s THR 37 Ca 0.00 1.72 0.04 0.00 0.31 0.00 0.00 61.69 63.77 1gpq s THR 37 Cb 0.00 -4.14 -0.06 0.00 0.01 0.00 0.00 72.50 68.30 1gpq s THR 37 CO 0.00 -0.19 0.05 -0.72 -0.69 0.00 0.00 174.62 173.07 1gpq s TYR 38 N 3.45 2.07 0.29 4.92 -0.85 -1.26 -0.72 117.35 125.24 1gpq s TYR 38 Ca 0.50 -0.92 0.04 0.00 -0.52 0.00 0.00 57.07 56.18 1gpq s TYR 38 Cb -0.18 -1.39 -0.06 0.00 0.38 0.00 0.00 41.96 40.71 1gpq s TYR 38 CO 0.12 0.09 0.01 0.95 -1.52 0.00 0.00 175.55 175.20 1gpq s THR 39 N -3.16 1.28 0.52 -3.49 -4.23 -1.24 -5.04 115.64 100.27 1gpq s THR 39 Ca 0.35 -2.04 -0.23 0.00 -1.18 0.00 0.00 61.69 58.59 1gpq s THR 39 Cb 0.08 -2.60 -0.06 0.00 1.34 0.00 0.00 72.50 71.27 1gpq s THR 39 CO 0.16 -0.16 1.38 -2.84 -0.54 0.00 0.00 174.62 172.62 1gpq s PRO 40 N -3.84 3.31 0.64 3.99 0.02 -1.26 -4.60 135.00 133.26 1gpq s PRO 40 Ca 0.33 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.47 1gpq s PRO 40 Cb 0.07 -2.38 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 1gpq s PRO 40 CO 0.13 -1.08 1.19 0.00 -0.33 0.00 0.00 177.00 176.91 1gpq s ALA 41 N -1.27 2.43 0.07 -1.55 0.00 -1.26 -4.87 121.76 115.31 1gpq s ALA 41 Ca 0.68 0.91 0.06 0.00 0.00 0.00 0.00 51.96 53.61 1gpq s ALA 41 Cb -0.41 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 1gpq s ALA 41 CO 0.50 -1.35 -0.15 -0.65 0.00 0.00 0.00 175.76 174.12 1gpq s GLN 42 N -3.58 0.89 -0.06 0.00 -0.21 -0.33 -4.92 119.66 111.45 1gpq s GLN 42 Ca 0.75 -0.96 -0.20 0.00 0.02 0.00 0.00 55.36 54.96 1gpq s GLN 42 Cb -0.28 -0.94 -0.04 0.00 1.00 0.00 0.00 33.01 32.74 1gpq s GLN 42 CO 0.37 0.21 0.58 0.99 -2.12 0.00 0.00 175.29 175.33 1gpq s THR 43 N -1.20 5.04 -0.02 -0.19 2.01 -1.26 -0.52 115.64 119.50 1gpq s THR 43 Ca -0.00 1.20 0.02 0.00 0.31 0.00 0.00 61.69 63.22 1gpq s THR 43 Cb -0.10 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1gpq s THR 43 CO 0.02 0.34 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.55 1gpq s VAL 44 N 0.35 0.50 -0.23 3.82 1.01 -0.48 -4.97 120.40 120.40 1gpq s VAL 44 Ca 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1gpq s VAL 44 Cb -0.17 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1gpq s VAL 44 CO 0.15 0.17 -0.08 -0.89 0.00 0.00 0.00 175.10 174.46 1gpq s THR 45 N 0.31 2.91 -0.28 3.92 2.01 -1.26 -0.06 115.64 123.20 1gpq s THR 45 Ca -0.04 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.11 1gpq s THR 45 Cb -0.08 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.08 1gpq s THR 45 CO -0.00 0.34 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.51 1gpq s LEU 46 N 1.38 3.56 0.00 4.42 1.43 0.02 -3.32 118.68 126.16 1gpq s LEU 46 Ca 0.03 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1gpq s LEU 46 Cb -0.15 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1gpq s LEU 46 CO -0.06 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 176.95 1gpq n GLY 47 N 4.72 2.20 1.14 -3.19 0.00 -0.63 -1.71 105.19 107.72 1gpq n GLY 47 Ca -0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1gpq n GLY 47 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gpq n ASP 48 N 6.73 2.80 -4.29 1.61 5.68 -1.26 -4.97 116.55 122.86 1gpq n ASP 48 Ca 0.00 -3.61 -0.32 0.00 -0.50 0.00 0.00 54.79 50.36 1gpq n ASP 48 Cb 0.00 -0.62 -0.16 0.00 -1.14 0.00 0.00 41.12 39.20 1gpq n ASP 48 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1gpq s GLU 49 N -3.16 3.08 -0.12 0.11 0.41 -0.69 -5.12 118.70 113.20 1gpq s GLU 49 Ca 0.44 -0.81 -0.07 0.00 -0.41 0.00 0.00 54.97 54.13 1gpq s GLU 49 Cb 0.39 -2.40 -0.04 0.00 -1.78 0.00 0.00 34.13 30.30 1gpq s GLU 49 CO 0.02 0.24 0.12 0.99 -0.49 0.00 0.00 175.26 176.14 1gpq s THR 50 N 0.23 5.31 0.13 3.63 2.01 -1.26 -0.80 115.64 124.88 1gpq s THR 50 Ca -0.13 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.07 1gpq s THR 50 Cb -0.16 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1gpq s THR 50 CO 0.07 0.60 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.14 1gpq s TYR 51 N -0.83 1.44 -0.22 4.92 1.51 0.92 -4.58 117.35 120.51 1gpq s TYR 51 Ca 0.14 -0.55 -0.08 0.00 -1.01 0.00 0.00 57.07 55.57 1gpq s TYR 51 Cb -0.12 -0.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1gpq s TYR 51 CO 0.03 0.16 0.08 -0.65 -1.11 0.00 0.00 175.55 174.06 1gpq s GLN 52 N -2.68 3.86 -0.14 -0.62 -1.52 -0.21 -1.38 119.66 116.98 1gpq s GLN 52 Ca 0.09 -0.39 -0.00 0.00 -1.95 0.00 0.00 55.36 53.11 1gpq s GLN 52 Cb -0.05 -3.30 -0.01 0.00 -0.22 0.00 0.00 33.01 29.43 1gpq s GLN 52 CO 0.03 0.06 -0.13 0.08 -0.25 0.00 0.00 175.29 175.08 1gpq s VAL 53 N 0.97 3.02 0.13 1.09 1.01 0.32 -0.40 120.40 126.55 1gpq s VAL 53 Ca 0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1gpq s VAL 53 Cb -0.14 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1gpq s VAL 53 CO 0.03 0.52 0.05 -0.04 0.00 0.00 0.00 175.10 175.66 1gpq s MET 54 N 0.48 0.94 0.16 2.72 1.00 -0.44 -1.18 119.30 122.99 1gpq s MET 54 Ca -0.09 -1.45 -0.07 0.00 0.00 0.00 0.00 55.69 54.08 1gpq s MET 54 Cb -0.16 0.19 -0.01 0.00 0.00 0.00 0.00 34.83 34.85 1gpq s MET 54 CO 0.04 -0.25 0.24 -1.54 0.00 0.00 0.00 175.02 173.52 1gpq s SER 55 N -3.06 0.09 0.06 3.03 1.04 -1.26 -0.66 113.70 112.94 1gpq s SER 55 Ca 0.24 -0.94 -0.20 0.00 0.48 0.00 0.00 55.95 55.53 1gpq s SER 55 Cb 0.07 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.65 1gpq s SER 55 CO 0.02 -0.86 0.47 0.00 0.98 0.00 0.00 173.24 173.85 1gpq s ALA 56 N -3.98 -1.17 0.18 5.32 0.00 -0.31 -3.64 121.76 118.15 1gpq s ALA 56 Ca 0.19 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.59 1gpq s ALA 56 Cb 0.04 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1gpq s ALA 56 CO 0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 175.76 175.20 1gpq s LYS 58 N -3.81 4.12 0.07 0.00 2.20 -0.60 -1.13 119.74 120.59 1gpq s LYS 58 Ca 0.21 2.47 -0.36 0.00 -0.36 0.00 0.00 55.97 57.94 1gpq s LYS 58 Cb 0.04 -4.12 -0.15 0.00 -1.51 0.00 0.00 37.83 32.09 1gpq s LYS 58 CO 0.04 -0.96 1.48 -2.30 -0.36 0.00 0.00 175.35 173.24 1gpq n PRO 59 N 7.47 1.54 -1.14 4.03 -0.02 -1.26 -1.07 135.00 144.55 1gpq n PRO 59 Ca 0.19 0.56 -0.05 0.00 -2.02 0.00 0.00 63.50 62.18 1gpq n PRO 59 Cb 0.42 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1gpq n PRO 59 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1gpq n HIS 60 N 3.26 0.00 -2.70 6.00 8.25 -1.26 -4.74 115.22 124.03 1gpq n HIS 60 Ca 0.19 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.59 1gpq n HIS 60 Cb 0.22 -2.00 0.08 0.00 1.12 0.00 0.00 29.99 29.41 1gpq n HIS 60 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1gpq n ASP 61 N -0.80 -0.30 -0.26 0.41 2.03 -0.23 -5.01 116.55 112.40 1gpq n ASP 61 Ca -0.05 -2.45 -0.06 0.00 0.52 0.00 0.00 54.79 52.75 1gpq n ASP 61 Cb 0.45 0.27 0.05 0.00 -0.72 0.00 0.00 41.12 41.17 1gpq n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gpq n GLY 63 N -0.88 -0.88 0.10 0.00 0.00 -1.26 -3.47 105.19 98.80 1gpq n GLY 63 Ca 0.06 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1gpq n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gpq n SER 64 N -1.26 0.65 -3.72 1.61 7.64 -0.72 -4.65 113.62 113.16 1gpq n SER 64 Ca 0.09 0.15 -0.12 0.00 1.01 0.00 0.00 58.87 60.01 1gpq n SER 64 Cb 0.14 0.36 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 1gpq n SER 64 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1gpq s GLN 65 N -2.54 0.41 0.25 1.43 0.74 -1.22 -0.55 119.66 118.18 1gpq s GLN 65 Ca -0.11 0.64 -0.19 0.00 0.05 0.00 0.00 55.36 55.75 1gpq s GLN 65 Cb 0.07 0.09 0.02 0.00 1.10 0.00 0.00 33.01 34.29 1gpq s GLN 65 CO 0.80 -0.11 0.62 -0.98 -0.55 0.00 0.00 175.29 175.08 1gpq s ARG 66 N 0.78 1.61 -0.04 1.67 3.03 -0.44 -1.55 118.95 124.02 1gpq s ARG 66 Ca -0.05 -0.98 -0.08 0.00 2.03 0.00 0.00 55.73 56.65 1gpq s ARG 66 Cb -0.06 0.56 0.01 0.00 -1.03 0.00 0.00 34.95 34.44 1gpq s ARG 66 CO -0.06 -0.71 0.19 -1.50 -1.13 0.00 0.00 175.30 172.09 1gpq s ILE 67 N -3.92 0.04 0.05 4.99 2.07 0.06 -0.82 121.20 123.66 1gpq s ILE 67 Ca 0.12 -0.33 0.07 0.00 -1.41 0.00 0.00 60.65 59.10 1gpq s ILE 67 Cb -0.03 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.15 1gpq s ILE 67 CO 0.04 -0.18 -0.20 0.00 -1.91 0.00 0.00 174.94 172.69 1gpq s ALA 68 N -0.66 1.67 -0.00 1.50 0.00 -0.19 -1.16 121.76 122.92 1gpq s ALA 68 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1gpq s ALA 68 Cb -0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 1gpq s ALA 68 CO 0.01 0.36 -0.00 0.08 0.00 0.00 0.00 175.76 176.21 1gpq s VAL 69 N -0.85 0.01 -0.08 0.00 1.01 0.17 -0.65 120.40 120.00 1gpq s VAL 69 Ca 0.06 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1gpq s VAL 69 Cb -0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 1gpq s VAL 69 CO 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 175.10 174.89 1gpq s MET 70 N -0.00 2.82 -0.11 2.72 0.23 0.80 -1.32 119.30 124.43 1gpq s MET 70 Ca 0.00 -0.87 0.02 0.00 -1.03 0.00 0.00 55.69 53.80 1gpq s MET 70 Cb -0.00 -2.26 0.01 0.00 -1.53 0.00 0.00 34.83 31.06 1gpq s MET 70 CO -0.00 0.29 -0.16 -0.46 -2.03 0.00 0.00 175.02 172.66 1gpq s TRP 71 N 0.07 2.04 -0.32 3.16 -0.00 0.46 -1.72 118.94 122.62 1gpq s TRP 71 Ca -0.10 -0.96 -0.08 0.00 -0.00 0.00 0.00 56.10 54.96 1gpq s TRP 71 Cb -0.16 -1.46 0.02 0.00 -0.00 0.00 0.00 33.47 31.87 1gpq s TRP 71 CO 0.06 -0.49 0.12 0.45 -0.00 0.00 0.00 176.95 177.10 1gpq s SER 72 N 0.96 5.36 0.19 5.86 0.15 -0.65 -1.04 113.70 124.53 1gpq s SER 72 Ca -0.07 -0.85 -0.06 0.00 0.70 0.00 0.00 55.95 55.66 1gpq s SER 72 Cb -0.15 -1.92 0.12 0.00 -1.71 0.00 0.00 66.02 62.35 1gpq s SER 72 CO -0.01 -0.27 1.59 -0.33 1.20 0.00 0.00 173.24 175.42 1gpq h GLU 73 N 8.29 0.85 -0.78 5.44 5.08 -1.86 1.23 114.58 132.82 1gpq h GLU 73 Ca -0.28 -0.36 0.18 0.00 -1.00 0.00 0.00 59.36 57.90 1gpq h GLU 73 Cb 1.11 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.21 1gpq h GLU 73 CO 0.62 1.00 0.14 -0.22 -1.00 0.00 0.00 179.01 179.55 1gpq h LYS 74 N 0.74 0.20 -0.00 2.33 3.64 -1.93 -1.13 116.57 120.41 1gpq h LYS 74 Ca 0.10 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1gpq h LYS 74 Cb 0.77 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1gpq h LYS 74 CO 0.06 0.13 -0.57 -1.13 -2.27 0.00 0.00 179.45 175.68 1gpq n SER 75 N -5.23 0.94 0.00 4.20 3.41 -1.16 -4.97 113.62 110.81 1gpq n SER 75 Ca 0.16 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 1gpq n SER 75 Cb 0.53 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1gpq n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gpq n ASN 76 N -0.98 0.00 -4.65 4.04 2.85 0.42 -4.97 115.26 111.98 1gpq n ASN 76 Ca 0.04 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.10 1gpq n ASN 76 Cb 0.25 -0.03 0.01 0.00 1.24 0.00 0.00 39.78 41.25 1gpq n ASN 76 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1gpq n GLN 77 N -1.43 1.56 -4.28 1.20 6.02 -1.10 -4.65 117.38 114.70 1gpq n GLN 77 Ca 0.00 0.56 -0.26 0.00 -0.01 0.00 0.00 57.00 57.29 1gpq n GLN 77 Cb 0.00 -2.18 -0.17 0.00 1.02 0.00 0.00 30.24 28.91 1gpq n GLN 77 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1gpq s MET 78 N -2.11 1.65 0.01 -1.09 1.75 -1.26 -1.64 119.30 116.62 1gpq s MET 78 Ca 0.63 -0.35 0.06 0.00 -1.25 0.00 0.00 55.69 54.77 1gpq s MET 78 Cb -0.54 -1.51 -0.02 0.00 2.84 0.00 0.00 34.83 35.61 1gpq s MET 78 CO 0.57 -0.10 -0.18 0.99 -0.65 0.00 0.00 175.02 175.64 1gpq s THR 79 N 1.12 1.46 0.33 10.11 2.01 -0.70 -4.45 115.64 125.52 1gpq s THR 79 Ca -0.06 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.01 1gpq s THR 79 Cb -0.14 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1gpq s THR 79 CO -0.02 0.29 0.39 -0.83 -0.69 0.00 0.00 174.62 173.75 1gpq s GLY 80 N -0.77 1.82 -0.08 4.40 0.00 -0.33 -0.14 107.32 112.21 1gpq s GLY 80 Ca 0.06 -1.74 -0.03 0.00 0.00 0.00 0.00 44.72 43.01 1gpq s GLY 80 CO 0.00 -1.20 0.16 -2.27 0.00 0.00 0.00 173.10 169.79 1gpq s LEU 81 N -3.29 0.16 -0.12 0.66 2.96 0.17 -0.44 118.68 118.78 1gpq s LEU 81 Ca 0.35 0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.56 1gpq s LEU 81 Cb 0.01 0.31 -0.03 0.00 0.50 0.00 0.00 46.19 46.98 1gpq s LEU 81 CO 0.23 -0.22 -0.01 0.12 -1.32 0.00 0.00 176.35 175.15 1gpq s PHE 82 N 1.96 3.10 -0.04 5.38 5.36 -0.28 -1.02 117.98 132.44 1gpq s PHE 82 Ca -0.01 0.01 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 1gpq s PHE 82 Cb -0.12 -1.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.72 1gpq s PHE 82 CO -0.06 0.26 -0.05 0.45 -1.46 0.00 0.00 175.22 174.36 1gpq s SER 83 N -0.34 0.96 -0.06 6.13 0.15 -0.00 -0.42 113.70 120.12 1gpq s SER 83 Ca 0.06 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1gpq s SER 83 Cb -0.12 -0.46 -0.01 0.00 -1.71 0.00 0.00 66.02 63.72 1gpq s SER 83 CO 0.02 -0.05 -0.23 -0.89 1.20 0.00 0.00 173.24 173.29 1gpq s THR 84 N 0.90 1.93 -0.07 6.45 2.01 -0.53 -1.32 115.64 125.01 1gpq s THR 84 Ca -0.11 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1gpq s THR 84 Cb -0.14 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1gpq s THR 84 CO 0.00 0.54 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.77 1gpq s ILE 85 N -0.11 3.63 -0.46 1.82 -1.09 0.28 -0.54 121.20 124.73 1gpq s ILE 85 Ca -0.04 -0.50 0.04 0.00 -2.23 0.00 0.00 60.65 57.92 1gpq s ILE 85 Cb -0.13 -2.49 0.12 0.00 -1.58 0.00 0.00 42.46 38.38 1gpq s ILE 85 CO 0.04 0.59 0.20 -0.62 -1.23 0.00 0.00 174.94 173.91 1gpq s ASP 86 N -0.71 4.40 0.24 3.58 -1.08 -0.56 -4.83 116.67 117.71 1gpq s ASP 86 Ca 0.11 -2.73 -0.05 0.00 -0.52 0.00 0.00 52.55 49.36 1gpq s ASP 86 Cb -0.11 -1.59 0.37 0.00 -1.46 0.00 0.00 42.92 40.13 1gpq s ASP 86 CO 0.02 -0.28 1.82 -0.08 0.52 0.00 0.00 175.17 177.16 1gpq h GLU 87 N 6.85 0.79 0.00 4.34 4.22 -1.96 -1.93 114.58 126.89 1gpq h GLU 87 Ca -0.07 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.33 1gpq h GLU 87 Cb 0.93 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1gpq h GLU 87 CO 0.63 0.52 0.00 0.87 -2.18 0.00 0.00 179.01 178.85 1gpq h LYS 88 N 0.81 0.00 -0.03 1.92 1.57 -1.95 -2.55 116.57 116.34 1gpq h LYS 88 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1gpq h LYS 88 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1gpq h LYS 88 CO -0.23 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.90 1gpq n THR 89 N -3.05 0.51 -2.68 -0.16 -2.24 -0.88 -4.98 114.28 100.81 1gpq n THR 89 Ca -0.02 -0.76 -0.19 0.00 -2.27 0.00 0.00 64.05 60.81 1gpq n THR 89 Cb 0.11 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1gpq n THR 89 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1gpq n SER 90 N -0.14 -4.97 -4.68 3.42 7.64 -0.78 -4.96 113.62 109.15 1gpq n SER 90 Ca 0.01 -0.05 -0.23 0.00 1.01 0.00 0.00 58.87 59.61 1gpq n SER 90 Cb 0.16 -4.12 -0.07 0.00 -1.01 0.00 0.00 64.21 59.17 1gpq n SER 90 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1gpq s GLN 91 N -5.32 2.44 -0.10 1.43 -0.21 -0.96 -5.02 119.66 111.92 1gpq s GLN 91 Ca 0.12 -1.30 -0.04 0.00 0.02 0.00 0.00 55.36 54.16 1gpq s GLN 91 Cb -0.06 -2.27 0.05 0.00 1.00 0.00 0.00 33.01 31.73 1gpq s GLN 91 CO 0.15 0.39 0.22 -2.00 -2.12 0.00 0.00 175.29 171.93 1gpq s GLU 92 N -3.60 0.15 -0.25 2.91 2.12 -1.26 -1.50 118.70 117.27 1gpq s GLU 92 Ca 0.31 0.58 -0.08 0.00 0.36 0.00 0.00 54.97 56.14 1gpq s GLU 92 Cb -0.07 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 1gpq s GLU 92 CO 0.21 -0.22 0.10 0.15 -0.54 0.00 0.00 175.26 174.96 1gpq s LYS 93 N 1.75 3.79 -0.12 4.30 1.02 0.29 -4.95 119.74 125.84 1gpq s LYS 93 Ca -0.04 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 55.50 1gpq s LYS 93 Cb -0.11 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1gpq s LYS 93 CO -0.08 -0.11 0.04 -0.51 -0.92 0.00 0.00 175.35 173.77 1gpq s LEU 94 N 1.44 3.75 -0.19 3.17 1.43 -1.26 -1.45 118.68 125.57 1gpq s LEU 94 Ca 0.06 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1gpq s LEU 94 Cb -0.15 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1gpq s LEU 94 CO 0.05 0.32 -0.17 -0.89 0.23 0.00 0.00 176.35 175.89 1gpq s THR 95 N -0.55 2.00 -0.11 5.49 2.01 0.45 -4.97 115.64 119.96 1gpq s THR 95 Ca 0.10 -1.04 -0.25 0.00 0.31 0.00 0.00 61.69 60.82 1gpq s THR 95 Cb -0.12 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1gpq s THR 95 CO 0.02 0.41 0.77 0.26 -0.69 0.00 0.00 174.62 175.39 1gpq s TRP 96 N 1.28 3.52 -0.42 4.92 0.52 -1.26 -1.12 118.94 126.38 1gpq s TRP 96 Ca 0.02 1.27 -0.09 0.00 0.02 0.00 0.00 56.10 57.32 1gpq s TRP 96 Cb -0.14 -2.91 0.08 0.00 -1.15 0.00 0.00 33.47 29.35 1gpq s TRP 96 CO -0.11 -0.06 0.26 -0.51 0.02 0.00 0.00 176.95 176.56 1gpq s LEU 97 N 1.38 5.19 -1.33 2.99 1.43 0.41 -4.71 118.68 124.03 1gpq s LEU 97 Ca 0.39 -1.54 -0.04 0.00 -1.03 0.00 0.00 54.13 51.91 1gpq s LEU 97 Cb -0.17 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1gpq s LEU 97 CO 0.17 -0.55 0.89 -3.20 0.23 0.00 0.00 176.35 173.89 1gpq n ASN 98 N 4.91 -2.71 -4.56 2.29 5.15 -1.24 -1.19 115.26 117.91 1gpq n ASN 98 Ca -0.10 -0.73 -0.43 0.00 -0.60 0.00 0.00 54.58 52.73 1gpq n ASN 98 Cb 0.43 -4.41 -0.03 0.00 -0.53 0.00 0.00 39.78 35.23 1gpq n ASN 98 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1gpq s VAL 99 N -3.48 4.26 0.85 3.44 1.01 -1.26 -4.60 120.40 120.62 1gpq s VAL 99 Ca 0.20 0.72 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 1gpq s VAL 99 Cb -0.09 -4.59 0.10 0.00 0.00 0.00 0.00 36.38 31.80 1gpq s VAL 99 CO 0.79 -1.11 1.14 0.54 0.00 0.00 0.00 175.10 176.46 1gpq s ASN 100 N 2.69 4.04 0.31 3.32 6.03 -1.26 -4.86 114.94 125.22 1gpq s ASN 100 Ca 0.38 0.95 0.01 0.00 -1.03 0.00 0.00 52.86 53.17 1gpq s ASN 100 Cb -0.10 -1.53 0.54 0.00 -3.03 0.00 0.00 41.25 37.13 1gpq s ASN 100 CO 0.25 -2.21 1.94 -0.78 -2.03 0.00 0.00 177.10 174.26 1gpq h ASP 101 N -1.26 0.88 -0.24 3.54 1.82 -2.00 -2.33 116.42 116.82 1gpq h ASP 101 Ca -0.48 -0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.21 1gpq h ASP 101 Cb 1.32 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 41.12 1gpq h ASP 101 CO 0.63 0.59 0.17 0.00 -1.61 0.00 0.00 179.24 179.02 1gpq h ALA 102 N 1.52 2.17 -0.54 -0.78 0.00 -2.02 -1.86 119.26 117.75 1gpq h ALA 102 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1gpq h ALA 102 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1gpq h ALA 102 CO -0.11 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.19 1gpq n LEU 103 N -4.48 3.47 0.17 0.00 4.77 -0.90 -4.66 117.00 115.38 1gpq n LEU 103 Ca 0.03 -1.92 0.13 0.00 -0.03 0.00 0.00 56.01 54.22 1gpq n LEU 103 Cb 0.29 -0.36 0.58 0.00 -2.33 0.00 0.00 43.42 41.60 1gpq n LEU 103 CO 0.35 0.85 0.89 0.77 -1.33 0.00 0.00 177.39 178.93 1gpq h SER 104 N 3.42 0.00 0.00 -1.43 4.64 -1.11 -1.69 113.55 117.38 1gpq h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gpq h SER 104 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1gpq h SER 104 CO 0.00 0.00 0.00 -0.38 -0.87 0.00 0.00 176.83 175.58 1gpq n ILE 105 N -2.45 0.00 0.20 0.95 5.41 -1.26 -4.62 119.36 117.59 1gpq n ILE 105 Ca 0.01 0.05 0.04 0.00 1.00 0.00 0.00 62.75 63.86 1gpq n ILE 105 Cb 0.21 -0.83 0.41 0.00 -0.71 0.00 0.00 39.64 38.72 1gpq n ILE 105 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1gpq h ASP 106 N 0.00 0.00 -0.38 4.38 3.32 -1.87 -2.65 116.42 119.22 1gpq h ASP 106 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1gpq h ASP 106 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1gpq h ASP 106 CO 0.00 0.34 0.10 1.23 -1.72 0.00 0.00 179.24 179.18 1gpq h GLY 107 N 1.22 0.65 1.02 2.75 0.00 -1.71 -0.95 103.07 106.06 1gpq h GLY 107 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1gpq h GLY 107 CO 0.04 0.38 0.47 0.50 0.00 0.00 0.00 176.54 177.93 1gpq h LYS 108 N 0.47 1.16 -0.65 4.80 1.57 -1.09 -0.51 116.57 122.33 1gpq h LYS 108 Ca 0.12 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1gpq h LYS 108 Cb 0.30 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1gpq h LYS 108 CO 0.00 0.85 0.37 1.15 -0.57 0.00 0.00 179.45 181.25 1gpq h THR 109 N 1.16 1.20 -0.30 -0.16 2.02 -1.19 -0.96 112.91 114.69 1gpq h THR 109 Ca 0.30 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1gpq h THR 109 Cb 0.02 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1gpq h THR 109 CO -0.05 0.21 0.07 0.58 0.37 0.00 0.00 175.52 176.70 1gpq h VAL 110 N 0.88 1.22 -0.89 3.16 2.07 -0.64 -0.76 116.25 121.29 1gpq h VAL 110 Ca 0.23 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1gpq h VAL 110 Cb 0.02 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1gpq h VAL 110 CO -0.04 0.24 0.54 -0.07 0.02 0.00 0.00 177.57 178.26 1gpq h LEU 111 N 0.32 1.07 -0.73 2.57 3.38 -0.95 -0.46 115.31 120.52 1gpq h LEU 111 Ca 0.09 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1gpq h LEU 111 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1gpq h LEU 111 CO 0.00 0.83 -0.01 0.15 0.09 0.00 0.00 178.44 179.50 1gpq h PHE 112 N 1.23 1.05 -0.14 1.13 3.57 -1.02 -2.62 116.94 120.14 1gpq h PHE 112 Ca 0.32 -0.17 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1gpq h PHE 112 Cb -0.05 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 1gpq h PHE 112 CO 0.00 0.94 -0.12 0.00 -2.23 0.00 0.00 178.31 176.90 1gpq h ALA 113 N 1.09 1.54 -0.31 2.41 0.00 -0.47 -0.29 119.26 123.24 1gpq h ALA 113 Ca 0.16 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1gpq h ALA 113 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1gpq h ALA 113 CO 0.03 0.33 -0.10 0.00 0.00 0.00 0.00 179.25 179.50 1gpq h ALA 114 N 1.68 1.25 0.10 0.00 0.00 -0.74 -2.14 119.26 119.42 1gpq h ALA 114 Ca 0.04 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.41 1gpq h ALA 114 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1gpq h ALA 114 CO 0.02 0.49 -1.40 -0.07 0.00 0.00 0.00 179.25 178.29 1gpq h LEU 115 N 0.48 0.34 -0.66 0.00 3.38 -1.07 -3.34 115.31 114.44 1gpq h LEU 115 Ca 0.09 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.49 1gpq h LEU 115 Cb 0.47 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1gpq h LEU 115 CO 0.03 1.35 -0.61 0.71 0.09 0.00 0.00 178.44 180.01 1gpq h THR 116 N 0.06 1.39 0.00 0.22 1.35 -1.03 -3.47 112.91 111.43 1gpq h THR 116 Ca -0.19 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1gpq h THR 116 Cb 1.98 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 1gpq h THR 116 CO 0.17 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1gpq n GLY 117 N 0.26 0.99 0.24 5.82 0.00 -0.86 -4.99 105.19 106.65 1gpq n GLY 117 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1gpq n GLY 117 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gpq h SER 118 N 0.00 0.46 -0.51 1.61 0.02 -1.81 -1.53 113.55 111.79 1gpq h SER 118 Ca 0.00 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.71 1gpq h SER 118 Cb 0.00 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1gpq h SER 118 CO 0.00 0.68 -0.04 0.25 -1.14 0.00 0.00 176.83 176.57 1gpq h LEU 119 N 0.42 0.95 -0.43 5.07 5.85 -1.70 0.40 115.31 125.86 1gpq h LEU 119 Ca 0.07 -0.28 -0.18 0.00 0.84 0.00 0.00 57.88 58.33 1gpq h LEU 119 Cb 0.60 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1gpq h LEU 119 CO 0.04 1.03 -0.74 -0.33 -0.34 0.00 0.00 178.44 178.10 1gpq h GLU 120 N 0.88 0.32 0.00 1.25 5.08 -1.75 -2.79 114.58 117.57 1gpq h GLU 120 Ca 0.15 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1gpq h GLU 120 Cb 0.58 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1gpq h GLU 120 CO 0.03 0.92 -0.28 -0.91 -1.00 0.00 0.00 179.01 177.77 1gpq h ASN 121 N 0.21 0.00 -2.07 1.42 2.35 -1.16 -3.37 115.58 112.97 1gpq h ASN 121 Ca -0.03 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.15 1gpq h ASN 121 Cb 1.31 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.28 1gpq h ASN 121 CO 0.12 0.26 -0.94 1.41 -1.65 0.00 0.00 177.43 176.63 1gpq n HIS 122 N -3.15 1.07 0.15 1.19 8.25 0.12 -4.99 115.22 117.86 1gpq n HIS 122 Ca 0.03 -3.78 0.19 0.00 -0.26 0.00 0.00 57.72 53.90 1gpq n HIS 122 Cb 0.64 -0.42 0.79 0.00 1.12 0.00 0.00 29.99 32.11 1gpq n HIS 122 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1gpq h PRO 123 N 3.96 0.00 -0.41 -0.41 0.13 -1.67 -1.33 132.00 132.28 1gpq h PRO 123 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1gpq h PRO 123 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1gpq h PRO 123 CO 0.59 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.11 1gpq n ASP 124 N -3.68 4.49 -1.11 1.44 8.00 -1.26 -4.52 116.55 119.91 1gpq n ASP 124 Ca 0.04 -2.85 0.10 0.00 0.71 0.00 0.00 54.79 52.79 1gpq n ASP 124 Cb 0.48 -0.57 0.24 0.00 -0.02 0.00 0.00 41.12 41.26 1gpq n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gpq n GLY 125 N 0.10 2.15 0.30 0.44 0.00 -0.50 -4.53 105.19 103.15 1gpq n GLY 125 Ca 0.23 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1gpq n GLY 125 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gpq n PHE 126 N 1.33 0.00 -2.42 1.61 3.01 -1.26 -4.89 117.46 114.85 1gpq n PHE 126 Ca 0.19 -0.84 -0.43 0.00 1.01 0.00 0.00 57.45 57.39 1gpq n PHE 126 Cb 0.56 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1gpq n PHE 126 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1gpq n ASN 127 N -1.00 5.11 0.00 4.37 3.02 -1.26 -4.66 115.26 120.84 1gpq n ASN 127 Ca 0.13 -3.10 0.03 0.00 -0.03 0.00 0.00 54.58 51.60 1gpq n ASN 127 Cb 0.68 -1.49 0.15 0.00 -0.61 0.00 0.00 39.78 38.52 1gpq n ASN 127 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13